当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00933994,ASN 03108038,N-(4-Acetyl-phenyl)-2-(4-pyridin-2-yl-4H-[1,

ZINC00933994,ASN 03108038,N-(4-Acetyl-phenyl)-2-(4-pyridin-2-yl-4H-[1,

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:ZINC00933994,ASN 03108038,N-(4-Acetyl-phenyl)-2-(4-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(4-acetylphenyl)-2-[(4-pyridin-2-yl-1,2,,4-triazol-3-yl)sulfanyl]acetamide,Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=N3,
[Synonyms]
ZINC00933994
ASN 03108038
N-(4-Acetyl-phenyl)-2-(4-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide

[Structure]
ZINC00933994,ASN 03108038,N-(4-Acetyl-phenyl)-2-(4-pyridin-2-yl-4H-[1,

[ Properties Computed from Structure]
Molecular Weight353.3983 [g/mol]
Molecular FormulaC17H15N5O2S
XLogP3.5
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count9
Exact Mass353.094645
MonoIsotopic Mass353.094645
Topological Polar Surface Area89.8
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(4-acetylphenyl)-2-[(4-pyridin-2-yl-1,2,
4-triazol-3-yl)sulfanyl]acetamide
Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=N3
InChI: InChI=1/C17H15N5O2S/c1-12(23)13-5-7-14(8-6-13)20-16(24)10-25-17-21-19-
11-22(17)15-4-2-3-9-18-15/h2-9,11H,10H2,1H3,(H,20,24)/f/h20H

 
本文导航:
  • (1) ZINC00933994,ASN 03108038,N-(4-Acetyl-phenyl)-2-(4-pyridin-2-yl-4H-[1,
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注